Chemical Properties of Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester (CAS 116465-55-5)

Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester

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InChI
InChI=1S/C30H22O8S/c31-27(21-9-3-1-4-10-21)19-37-29(33)23-13-7-15-25(17-23)39(35,36)26-16-8-14-24(18-26)30(34)38-20-28(32)22-11-5-2-6-12-22/h1-18H,19-20H2
InChI Key
OLGCDFZBUZUSOG-UHFFFAOYSA-N
Formula
C30H22O8S
SMILES
O=C(COC(=O)c1cccc(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)c1)c1ccccc1
Molecular Weight1
542.56
CAS
116465-55-5
Other Names
  • Sulfonyl-m,m'-dibenzoic acid, diphenacyl ester
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Physical Properties

Property Value Unit Source
ΔfG° -562.12 kJ/mol Joback Calculated Property
ΔfH°gas -907.46 kJ/mol Joback Calculated Property
ΔfusH° 68.99 kJ/mol Joback Calculated Property
ΔvapH° 143.24 kJ/mol Joback Calculated Property
log10WS -7.10 Crippen Calculated Property
logPoct/wat 4.599 Crippen Calculated Property
McVol 384.630 ml/mol McGowan Calculated Property
Pc 1692.12 kPa Joback Calculated Property
Tboil 1310.58 K Joback Calculated Property
Tc 1604.95 K Joback Calculated Property
Tfus 841.32 K Joback Calculated Property
Vc 1.470 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1132.67; 1186.08] J/mol×K [1310.58; 1604.95] Show Hide
Cp,gas 1186.08 J/mol×K 1310.58 Joback Calculated Property
Cp,gas 1182.33 J/mol×K 1359.64 Joback Calculated Property
Cp,gas 1176.34 J/mol×K 1408.70 Joback Calculated Property
Cp,gas 1168.25 J/mol×K 1457.76 Joback Calculated Property
Cp,gas 1158.18 J/mol×K 1506.83 Joback Calculated Property
Cp,gas 1146.28 J/mol×K 1555.89 Joback Calculated Property
Cp,gas 1132.67 J/mol×K 1604.95 Joback Calculated Property

Similar Compounds

Sulfonyl-o,m'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,p'-diphenacyldibenzoate. Sulfonyl-o,o'-diphenacyldibenzoate. Thio-o,o'-benzoic acid, diphenacyl ester. cannabidiolic acid, n-butyl-boronate. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. 11-Ketoestradiol (enol), TMS. cannabidiolic acid, methyl-boronate. 5,6-Dehydro-7,9-dihydroxy-7H-pyrrolizineethyl ether. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Tazettine. N-Desmethylmirtazapine. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester.

Sources

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